Внутримолекулярный перенос заряда в тримерных системах смешанной валентности: Квазиклассическое рассмотрение [Articol]

Abstract

În aproximaţia cvasiclasică au fost cercetare procesele de transfer al sarcinii. Au fost obţinute expresiile analitice ale despicării de tunel şi ale factorului reducţiei vibronice. A fost generalizată analiza de tip Hush a benzii de transfer al sarcinii pentru sistemele trimerice. S-a demonstrat că expresiile pentru maximumul şi semilăţimea benzii de transfer coincid cu cazul sistemelor dimerice. Iar momentul dipolic al tranziţiei diferă cu factorul √2.

In the framework of semi-classical approximation the electron transfer processes in the trimeric systems were investigated. The analytical expressions for tunneling splitting and vibronic reduction factor were obtained for the limiting case of strong vibronic coupling. The Hush type analysis of the inter-valence charge-transfer (IVCT) band was generalized for trimeric systems. It was shown that the expressions for maximum and half-width of the IVCT band are the same as or dimeric case. But the corresponding transition dipole moment is differing by the factor √2.